![CAS 1187932-79-1 1,7-Diaza-spiro[4.5]decane-7-carboxylic acid tert-butyl ester oxalate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1187932-79-1.gif)
CAS RN: 1187932-79-1
1,7-Diaza-spiro[4.5]decane-7-carboxylic acid tert-butyl ester oxalate
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260616 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1187932-79-1
- Purity/Analytical Methods: >99.0%
1187932-79-1 / tert-butyl 1,9-diazaspiro[4.5]decane-9-carboxylate;oxalic acid
tert-butyl 1,7-diazaspiro[4.5]decane-7-carboxylate oxalate | 1,7-Diaza-spiro[4.5]decane-7-carboxylic acid tert-butyl ester oxalate | MFCD11858530
Basic Information
CAS
1187932-79-1
Multi CAS
Yes
Molecular Formula
C15H26N2O6
Molecular Weight
330.380000
Exact Mass
330.179087
SMILES
CC(C)(C)OC(=O)N1CCCC2(C1)CCCN2.C(=O)(C(=O)O)O
InChI
InChI=1S/C13H24N2O2.C2H2O4/c1-12(2,3)17-11(16)15-9-5-7-13(10-15)6-4-8-14-13;3-1(4)2(5)6/h14H,4-10H2,1-3H3;(H,3,4)(H,5,6)
InChIKey
SMMOACXVQZSZSN-UHFFFAOYSA-N
Synonyms
tert-butyl 1,7-diazaspiro[4.5]decane-7-carboxylate oxalate
1,7-Diaza-spiro[4.5]decane-7-carboxylic acid tert-butyl ester oxalate
MFCD11858530
tert-butyl 1,9-diazaspiro[4.5]decane-9-carboxylate;oxalic acid
CS-WAA0293
Computed Properties
Structural Parameters
Heavy atom count
23
Fraction Csp3
0.8
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
3
Molar refractivity
82.28
TPSA
116.17
LogP / Solubility
WLOGP
1.3
MLOGP
1.16
XLogP3
1.3
Consensus LogP
1.25
Log S (ESOL)
-2.7
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.2
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-2.88
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.82
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
4
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